N(alpha)-Boc-DL-2,3-diaminopropionic acid, 97% - ≥97% , CAS No.159002-17-2

CAS: 159002-17-2 Cat. No.: N138317 Formula: C₈H₁₆N₂O₄ Peso molecolare: 204.22 Numero EC: 688-970-7

GRADE & PURITY ≥97%

Synonyms

A9466 | Z1147137778 | 3-Amino-2-((tert-butoxycarbonyl)amino)propanoic acid | BOC-DAPA-OH | Boc-DL-Dap-OH | 3-amino-2-tert-butoxycarbonylaminopropionic acid | 3-AMINO-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID | (S)-3-amino-2-(tert-butoxycarbonylamino)propa

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A9466 | Z1147137778 | 3-Amino-2-((tert-butoxycarbonyl)amino)propanoic acid | BOC-DAPA-OH | Boc-DL-Dap-OH | 3-amino-2-tert-butoxycarbonylaminopropionic acid | 3-AMINO-2-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID | (S)-3-amino-2-(tert-butoxycarbonylamino)propa

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(C)(C)OC(=O)NC(CN)C(=O)O

IUPAC Name

3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

KRJLRVZLNABMAT-UHFFFAOYSA-N

INCHI

1S/C8H16N2O4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)

Isomeri SMILES

CC(C)(C)OC(=O)NC(CN)C(=O)O

Peso molecolare

204.22

Reaxy-Rn

8054362

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8054362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Carbamate esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 204.220 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 204.111 Da
• Monoisotopic Mass: 204.111 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159002-17-2, the molecular formula is C8H16N2O4, and the molecular weight is 204.22 g/mol. InChIKey KRJLRVZLNABMAT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.